4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide

C11H11ClN4O3S — CID 102692631

IUPAC4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H11ClN4O3S/c1-13-11(17)7-2-3-8(12)9(6-7)16-20(18,19)10-4-5-14-15-10/h2-6,16H,1H3,(H,13,17)(H,14,15)
InChIKeyHHTZIHPUENFIPK-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.22
Rot. Bonds4

About 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide

4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide (PubChem CID 102692631) has the molecular formula C11H11ClN4O3S and a molecular weight of 314.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
PubChem CID102692631
Molecular FormulaC11H11ClN4O3S
Molecular Weight314.75 g/mol
Exact Mass314.02
IUPAC Name4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H11ClN4O3S/c1-13-11(17)7-2-3-8(12)9(6-7)16-20(18,19)10-4-5-14-15-10/h2-6,16H,1H3,(H,13,17)(H,14,15)
InChIKeyHHTZIHPUENFIPK-UHFFFAOYSA-N
XLogP1.22
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692709
N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
3,6-dichloro-2-(1H-pyrazol-5-ylsulfonylamino)benzoic acid
CID 107049512
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027257
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
4-chloro-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027249
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102691501
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide (CID 102692631) is 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide is CNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The InChIKey is HHTZIHPUENFIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S/c1-13-11(17)7-2-3-8(12)9(6-7)16-20(18,19)10-4-5-14-15-10/h2-6,16H,1H3,(H,13,17)(H,14,15).
What are the key properties of 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide has a molecular weight of 314.75 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 102692631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).